(Q51634332)

8 April 2018

title

Ab initio potential energy and dipole moment surfaces for H5O2 +. (English)

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2

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Xinchuan Huang

object named as

Xinchuan Huang

series ordinal

1

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author name string

Joel M Bowman

series ordinal

3

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language of work or name

English

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publication date

1 January 2005

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Journal of Chemical Physics

published in

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volume

122

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issue

4

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page(s)

44308

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8 April 2018

Infrared spectra of the solvated hydronium ion: Vibrational predissociation spectroscopy of mass-selected H3O+.cntdot.(H2O)n.cntdot.(H2)m

cites work

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Gas-phase infrared spectrum of the protonated water dimer.

21 January 2018

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A theoretical study of vibrational mode coupling in H5O2+

21 January 2018

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Full Dimensional Quantum Calculations of Vibrational Energies of H5O2+†

21 January 2018

1 reference

Ab Initio Diffusion Monte Carlo Calculations of the Quantum Behavior of CH5+in Full Dimensionality

21 January 2018

1 reference

Quantum Calculations of Vibrational Energies of H3O2-on an ab Initio Potential

21 January 2018

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Ab Initio Potential Energy Surface and Vibrational Energies of H3O+and Its Isotopomers†

21 January 2018

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Comparison of classical, new corrected-classical, and semiclassical IR spectra of non-rotating H2O with quantum calculations

21 January 2018

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Ab initio potential energy surface and rovibrational energies of H3O+ and its isotopomers

21 January 2018

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Full dimensional calculations of vibrational energies of H3O+ and D3O+.

21 January 2018

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Detection of the Hydronium Ion (H3O+) by High-Resolution Infrared Spectroscopy

21 January 2018

1 reference

Infrared Spectroscopy of H3O+: The nu1 Fundamental Band.

21 January 2018

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Predicting the binding energies of H-bonded complexes: A comparative DFT study

21 January 2018

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The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

21 January 2018

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21 January 2018

Identifiers

DOI

10.1063/1.1834500

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